tert-butyl N-(1-cyano-2-methylpropyl)carbamate
TL;DR: tert-butyl N-(1-cyano-2-methylpropyl)carbamate (CAS 216319-90-3) is a chemical compound with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1-cyano-2-methylpropyl)carbamate
Also Known As: Boc-D-Val-Nitrile, Boc-L-Val-nitrile, tert-butyl N-(1-cyano-2-methylpropyl)carbamate, Boc-D-Valinenitrile, tert-Butyl (1-cyano-2-methylpropyl)carbamate
| Molecular Formula | C10H18N2O2 |
|---|---|
| Molecular Weight | 198.14 g/mol |
| LogP | 2.05928 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.13683 |
| Heavy Atoms | 14 |
| Complexity | 235.487 |
Chemical Identifiers
| CAS Number | 216319-90-3 |
|---|---|
| SMILES | CC(C)C(C#N)NC(=O)OC(C)(C)C |
Product Overview
tert-butyl N-(1-cyano-2-methylpropyl)carbamate (CAS 216319-90-3), with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol. IUPAC: tert-butyl N-(1-cyano-2-methylpropyl)carbamate.
Chemical Property Profile of tert-butyl N-(1-cyano-2-methylpropyl)carbamate
Property Insights of tert-butyl N-(1-cyano-2-methylpropyl)carbamate
The XLogP value of 2.05928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1-cyano-2-methylpropyl)carbamate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(1-cyano-2-methylpropyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(1-cyano-2-methylpropyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl N-(1-cyano-2-methylpropyl)carbamate?
The CAS number of tert-butyl N-(1-cyano-2-methylpropyl)carbamate is 216319-90-3.
What is the molecular formula of tert-butyl N-(1-cyano-2-methylpropyl)carbamate?
The molecular formula of tert-butyl N-(1-cyano-2-methylpropyl)carbamate is C10H18N2O2.
What is the molecular weight of tert-butyl N-(1-cyano-2-methylpropyl)carbamate?
The molecular weight of tert-butyl N-(1-cyano-2-methylpropyl)carbamate is 198.14 g/mol.
Where can I buy tert-butyl N-(1-cyano-2-methylpropyl)carbamate?
You can request a quote for tert-butyl N-(1-cyano-2-methylpropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(1-cyano-2-methylpropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(1-cyano-2-methylpropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.